ethyl 4-[4-(4-hexylphenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-(4-hexylphenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(4-hexylbenzoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-hexylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-hexylbenzoyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-hexylbenzoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C33H40N4O4 MolecularWeight: 556.6951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)C3=NC(=NC(=C3C(=O)OCC)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)C3=NC(=NC(=C3C(=O)OCC)C4=CC=CC=C4)C

InChI

InChI=1S/C33H40N4O4/c1-5-7-8-10-13-25-16-18-27(19-17-25)31(38)37-21-20-36(22-23(37)3)32(39)30-28(33(40)41-6-2)29(34-24(4)35-30)26-14-11-9-12-15-26/h9,11-12,14-19,23H,5-8,10,13,20-22H2,1-4H3